P435-1336 Screening compound: N~1~-(2-furylmethyl)-4-[5-methyl-4-(1,4-thiazinan-4-ylcarbonyl)-1,3-oxazol-2-yl]tetrahydro-1(2H)-pyridinecarboxamide

P435-1336 Screening compound: N~1~-(2-furylmethyl)-4-[5-methyl-4-(1,4-thiazinan-4-ylcarbonyl)-1,3-oxazol-2-yl]tetrahydro-1(2H)-pyridinecarboxamide
P435-1336 Screening compound: N~1~-(2-furylmethyl)-4-[5-methyl-4-(1,4-thiazinan-4-ylcarbonyl)-1,3-oxazol-2-yl]tetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P435-1336
N~1~-(2-furylmethyl)-4-[5-methyl-4-(1,4-thiazinan-4-ylcarbonyl)-1,3-oxazol-2-yl]tetrahydro-1(2H)-pyridinecarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P435-1336

Molecular Formula

C20H26N4O4S (C20 H26 N4 O4 S)

Compound Name

N~1~-(2-furylmethyl)-4-[5-methyl-4-(1,4-thiazinan-4-ylcarbonyl)-1,3-oxazol-2-yl]tetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-[(furan-2-yl)methyl]-4-[5-methyl-4-(thiomorpholine-4-carbonyl)-13-oxazol-2-yl]piperidine-1-carboxamide

SMILES

Cc1c(C(N2CCSCC2)=O)nc(C(CC2)CCN2C(NCc2ccco2)=O)o1

InChI

InChI=1S/C20H26N4O4S/c1-14-17(19(25)23-8-11-29-12-9-23)22-18(28-14)15-4-6-24(7-5-15)20(26)21-13-16-3-2-10-27-16/h2-3,10,15H,4-9,11-13H2,1H3,(H,21,26)

InChI Key

BBXPGICGKJCTPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.964

Distribution Coefficient, logD

1.964

Water Solubility, LogSw

-2.31

Polar Surface Area

69.054

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

P435-1336 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P435-1336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P435-1336?
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What is the minimum amount of P435-1336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P435-1336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P435-1336
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P435-1336 available by request